methyl 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-3-methyl-imidazole-4-carboxylate

Systemtic Name: methyl 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-3-methyl-imidazole-4-carboxylate Openeye Name: methyl 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-3-methyl-imidazole-4-carboxylate CAS Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-3-methyl-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-3-methylimidazole-4-carboxylate Traditional Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-3-methyl-imidazole-4-carboxylic acid methyl ester Formula: C13H9F3N4O6S MolecularWeight: 406.29397

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN1C(=CN=C1SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H9F3N4O6S/c1-18-9(11(21)26-2)5-17-12(18)27-10-7(19(22)23)3-6(13(14,15)16)4-8(10)20(24)25/h3-5H,1-2H3